Macromolecular Symposia

Cover image for Vol. 369 Issue 1

July 31, 2012

SENSORS: Quantum Chemical Investigation of Secondary Reactions in Poly(vinyl chloride) Free-Radical Polymerization

SENSORS: Quantum Chemical Investigation of Secondary Reactions in Poly(vinyl chloride) Free-Radical Polymerization

Danilo Cuccato, Marco Dossi, Davide Moscatelli,* Giuseppe Storti

Vinyl chloride polymerization is investigated using quantum chemical methods, with emphasis on the reactions involving mid-chain radicals (MCRs). A kinetic model accounting for such reactions is developed to elucidate their impact on the final polymer properties. The contribution of backbiting reactions is relevant in determining the radical migration along the chains.

Macromol. React. Eng. DOI: 10.1002/mren.201200010

Other contributions to the article series on sensors, process control and modeling in polymer production can be found here.

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